(NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine

C11H13NO — CID 5381210

IUPAC(NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine
SMILESO/N=C1\CCCCc2ccccc21
InChIInChI=1S/C11H13NO/c13-12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,13H,2,4,6,8H2/b12-11+
InChIKeyADICYZCHPFSRFC-VAWYXSNFSA-N
MW175.23 g/mol
LogP2.59
Rot. Bonds

About (NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine

(NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine (PubChem CID 5381210) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine
PubChem CID5381210
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine
SMILESO/N=C1\CCCCc2ccccc21
InChIInChI=1S/C11H13NO/c13-12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,13H,2,4,6,8H2/b12-11+
InChIKeyADICYZCHPFSRFC-VAWYXSNFSA-N
XLogP2.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine (CID 5381210) is (NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine is O/N=C1\CCCCc2ccccc21.
What is the InChIKey of (NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine?
The InChIKey is ADICYZCHPFSRFC-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H13NO/c13-12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,13H,2,4,6,8H2/b12-11+.
What are the key properties of (NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine?
(NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine has a molecular weight of 175.23 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydroxylamine is sourced from PubChem (CID 5381210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).